2,4-dimethyl-1,3-oxazole-5-thiol;ethane

C7H13NOS — CID 144716045

IUPAC2,4-dimethyl-1,3-oxazole-5-thiol;ethane
SMILESCC.Cc1nc(C)c(S)o1
InChIInChI=1S/C5H7NOS.C2H6/c1-3-5(8)7-4(2)6-3;1-2/h8H,1-2H3;1-2H3
InChIKeyJUDVBLZRFZFMIC-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.61
Rot. Bonds

About 2,4-dimethyl-1,3-oxazole-5-thiol;ethane

2,4-dimethyl-1,3-oxazole-5-thiol;ethane (PubChem CID 144716045) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-oxazole-5-thiol;ethane.

Molecular Properties

Compound Name2,4-dimethyl-1,3-oxazole-5-thiol;ethane
PubChem CID144716045
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name2,4-dimethyl-1,3-oxazole-5-thiol;ethane
SMILESCC.Cc1nc(C)c(S)o1
InChIInChI=1S/C5H7NOS.C2H6/c1-3-5(8)7-4(2)6-3;1-2/h8H,1-2H3;1-2H3
InChIKeyJUDVBLZRFZFMIC-UHFFFAOYSA-N
XLogP2.61
TPSA26.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-1,3-oxazole-5-thiol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-oxazole-5-thiol;ethane?
The IUPAC name of 2,4-dimethyl-1,3-oxazole-5-thiol;ethane (CID 144716045) is 2,4-dimethyl-1,3-oxazole-5-thiol;ethane.
What is the SMILES notation for 2,4-dimethyl-1,3-oxazole-5-thiol;ethane?
The canonical SMILES for 2,4-dimethyl-1,3-oxazole-5-thiol;ethane is CC.Cc1nc(C)c(S)o1.
What is the InChIKey of 2,4-dimethyl-1,3-oxazole-5-thiol;ethane?
The InChIKey is JUDVBLZRFZFMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS.C2H6/c1-3-5(8)7-4(2)6-3;1-2/h8H,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-1,3-oxazole-5-thiol;ethane?
2,4-dimethyl-1,3-oxazole-5-thiol;ethane has a molecular weight of 159.25 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-oxazole-5-thiol;ethane is sourced from PubChem (CID 144716045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).